Cu4Ho4S8
Cu4Ho4S8 is a thermodynamically stable semiconducting quaternary sulfide composed of copper, holmium, and sulfur.
About Cu4Ho4S8
Cu4Ho4S8 is a complex quaternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within the copper-holmium-sulfur system.
This material is of significant interest to researchers studying the interplay between transition metals and rare-earth elements in sulfur-based frameworks. Its stability makes it an intriguing candidate for fundamental investigations into electronic transport and solid-state chemistry.
Key Properties
Cross-validated computational properties for Cu4Ho4S8, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Cu4Ho4S8, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.61 | 0.0000 | -16.541 | 5.97 |
| P212121 (No. 19) | orthorhombic | 1.66 | 0.0011 | -16.540 | 5.88 |
| P212121 (No. 19) | — | — | — | — | — |
| P212121 (No. 19) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| P212121 (No. 19) | — | — | — | — | — |
| — | — | — | — | — | 4.59 |
Frequently Asked Questions
Common questions about Cu4Ho4S8, answered from cross-validated data.
What is Cu4Ho4S8?
Cu4Ho4S8 is a thermodynamically stable semiconducting quaternary sulfide composed of copper, holmium, and sulfur.
What is the band gap of Cu4Ho4S8?
Is Cu4Ho4S8 a metal, semiconductor, or insulator?
Is Cu4Ho4S8 thermodynamically stable?
What is the crystal structure of Cu4Ho4S8?
What is the density of Cu4Ho4S8?
How many polymorphs of Cu4Ho4S8 are known?
What elements does Cu4Ho4S8 contain?
Where does the data for Cu4Ho4S8 come from?
How It Compares
As a distinct quaternary compound, Cu4Ho4S8 occupies a unique niche in materials science, serving as a stable reference point for exploring the structural diversity of copper-holmium-sulfur systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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